SCHEMBL2386293

SCHEMBL2386293

CCOC(=O)c1ccc(N2CCN(CC(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
MAPT P10636 3/20 0.60
TSHR P16473 4/20 0.54
HSP90AA1 P07900 1/20 0.51
HPGD P15428 2/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
LMNA P02545 2/20 0.46
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR2 P34972 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2424982 0.95 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPTTSHRHSP90AA1
SCHEMBL2390136 0.85 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MAPTTSHRHSP90AA1
SCHEMBL2388248 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTTSHRHSP90AA1
SCHEMBL2389057 0.84 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MAPTTSHRHSP90AA1
SCHEMBL2388214 0.83 ALDH1A1 (0.48) ALDH1A1TSHRHSP90AA1HPGDMAPK1
SCHEMBL2384658 0.82 HPGD (0.50) ALDH1A1SMN1; SMN2MAPTTSHRHSP90AA1
SCHEMBL27929766 0.80 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2MAPTTSHRHSP90AA1
SCHEMBL22015905 0.80 HPGD (0.65) ALDH1A1SMN1; SMN2MAPTTSHRHSP90AA1
SCHEMBL20188098 0.80 HPGD (0.65) ALDH1A1SMN1; SMN2MAPTTSHRHSP90AA1
SCHEMBL2384645 0.79 EPHX2 (0.51) ALDH1A1SMN1; SMN2MAPTHSP90AA1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2957558-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2015-12-23 EP disclosed
EP-2550258-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2015-08-19 EP disclosed
EP-2757105-A1 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases Abbvie Inc. (US) 2014-07-23 EP disclosed
US-8343967-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LABORATORIES (US) 2013-01-01 US disclosed
US-20120214796-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. 2012-08-23 US disclosed
US-8188077-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-09-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120214796-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 ALDH1A1 4257/4885SMN1; SMN2 2848/4885MAPT 4105/4885
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 ALDH1A1 4257/4885SMN1; SMN2 2848/4885MAPT 4105/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.